Basic information
- CAS
26844-12-2- Standard SMILES
O=C(NC1CCN(CCc2c[nH]c3ccccc23)CC1)c1ccccc1- InChIKey
JXZZEXZZKAWDSP-UHFFFAOYSA-N- Molecular formula
- C22H25N3O
- Average molar mass
- 347.5 g/mol
- Monoisotopic mass
- 347.19976243
Overview
Indoramin is a member of tryptamines.
Names & identifiers
- Preferred name
- Indoramin
- IUPAC
- N-[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]benzamide
- English name
- Indoramin
- Molecular formula
- C22H25N3O
- Molecular weight
- 347.45
Names & synonyms
INDORAMIN26844-12-2IndoramineIndoraminaWy-21901IndoraminumN-[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]benzamideWY 21901BaratolBenzamide, N-(1-(2-(1H-indol-3-yl)ethyl)-4-piperidinyl)-0Z802HMY7HDTXSID7048370
Show more names
Indoramin USP/EP/BP
N-{1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl}benzamideBenzamide, N-[1-[2-(1H-indol-3-yl)ethyl]-4-piperidinyl]-Wy21901N-(1-(2-(1H-indol-3-yl)ethyl)piperidin-4-yl)benzamideDoralese tiltabRefChem:790998DTXCID3028344C02CA02
Database identifiers
- CAS
26844-12-2、38821-52-2- PubChem CID
- 33625
- DTXSID
DTXSID7048370- ChEMBL
CHEMBL279516- ChEBI
CHEBI:135470- UNII
- 0Z802HMY7H
- EC Number
- 248-041-5
- Nikkaji
- J10.427B
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 48.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 454
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
Solubility51.7 [ug/mL] (The mean of the results at pH 7.4)
Human DrugsPharmaceuticals
Melting Point208-210
Physicochemical properties
- Melting point
- 208 · 208-210°
- Boiling point
- 600 · 600.0±45.0 °C(Predicted)
- Density
- 1.21 · 1.21±0.1 g/cm3(Predicted)
- pka
- 14.32 · 14.32±0.20(Predicted)
- form
- Solid
- color
- Off-white to light yellow
- FDA UNII
- 0 Z802HMY7H · 0Z802HMY7H
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Chemistry & industry
Pharmacology
ATC Code
C - Cardiovascular system
QC - Cardiovascular system
MeSH Pharmacological Classification
Drugs used in the treatment of acute or chronic vascular HYPERTENSION regardless of pharmacological mechanism. Among the antihypertensive agents are DIURETICS; (especially DIURETICS, THIAZIDE); ADRENERGIC BETA-ANTAGONISTS; ADRENERGIC ALPHA-ANTAGONISTS; ANGIOTENSIN-CONVERTING ENZYME INHIBITORS; CALCIUM CHANNEL BLOCKERS; GANGLIONIC BLOCKERS; and VASODILATOR AGENTS.
Drugs that bind to and block the activation of ADRENERGIC ALPHA-1 RECEPTORS.
Uses & manufacturing
Use ClassificationPharmaceuticals
Applications
UsesAntihypertensive.
Upstream & downstream products
Upstream raw materials
Suppliers11 total
盐城通铭生物科技有限公司15195160625 · [email protected]
济南昕维医药科技有限公司18354101831 13356699551 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
南京世洲生物科技有限公司
Related reactions
5 records
Compound notes
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